2-[(2R)-4-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol

C18H23ClN2O2 — CID 98575794

IUPAC2-[(2R)-4-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol
SMILESCN1CCN(Cc2ccc(-c3ccccc3Cl)o2)C[C@H]1CCO
InChIInChI=1S/C18H23ClN2O2/c1-20-9-10-21(12-14(20)8-11-22)13-15-6-7-18(23-15)16-4-2-3-5-17(16)19/h2-7,14,22H,8-13H2,1H3/t14-/m1/s1
InChIKeyINQYXBDWBAKYFL-CQSZACIVSA-N
MW334.85 g/mol
LogP3.10
Rot. Bonds5

About 2-[(2R)-4-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol

2-[(2R)-4-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol (PubChem CID 98575794) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 2-[(2R)-4-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-4-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol
PubChem CID98575794
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name2-[(2R)-4-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol
SMILESCN1CCN(Cc2ccc(-c3ccccc3Cl)o2)C[C@H]1CCO
InChIInChI=1S/C18H23ClN2O2/c1-20-9-10-21(12-14(20)8-11-22)13-15-6-7-18(23-15)16-4-2-3-5-17(16)19/h2-7,14,22H,8-13H2,1H3/t14-/m1/s1
InChIKeyINQYXBDWBAKYFL-CQSZACIVSA-N
XLogP3.10
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol
CID 45190547
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(Z)-N-[4-[[5-(2-chlorophenyl)furan-2-yl]methyl]piperazin-1-yl]ethanimine
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CID 98576071
1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122046247
[5-(2-chlorophenyl)furan-2-yl]methanol
CID 4796268
2-[1-methyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-2-yl]ethanol
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2-[(2S)-1-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol
CID 92764625
2-[1-benzyl-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol
CID 126460832
2-[1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol
CID 45213559
1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol
CID 56741579

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-4-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol (CID 98575794) is 2-[(2R)-4-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-4-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-4-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol is CN1CCN(Cc2ccc(-c3ccccc3Cl)o2)C[C@H]1CCO.
What is the InChIKey of 2-[(2R)-4-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol?
The InChIKey is INQYXBDWBAKYFL-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c1-20-9-10-21(12-14(20)8-11-22)13-15-6-7-18(23-15)16-4-2-3-5-17(16)19/h2-7,14,22H,8-13H2,1H3/t14-/m1/s1.
What are the key properties of 2-[(2R)-4-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol?
2-[(2R)-4-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol has a molecular weight of 334.85 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol is sourced from PubChem (CID 98575794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).